2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid

C20H40O5 — CID 87896935

IUPAC2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(CC(CO)OCC(C)O)C(=O)O
InChIInChI=1S/C20H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-18(20(23)24)14-19(15-21)25-16-17(2)22/h17-19,21-22H,3-16H2,1-2H3,(H,23,24)
InChIKeyREDSVZVZTLSHRA-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.15
Rot. Bonds18

About 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid

2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid (PubChem CID 87896935) has the molecular formula C20H40O5 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid.

Molecular Properties

Compound Name2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid
PubChem CID87896935
Molecular FormulaC20H40O5
Molecular Weight360.54 g/mol
Exact Mass360.29
IUPAC Name2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid
SMILESCCCCCCCCCCCCC(CC(CO)OCC(C)O)C(=O)O
InChIInChI=1S/C20H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-18(20(23)24)14-19(15-21)25-16-17(2)22/h17-19,21-22H,3-16H2,1-2H3,(H,23,24)
InChIKeyREDSVZVZTLSHRA-UHFFFAOYSA-N
XLogP4.15
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-nonyl-4-tridecylpentanedioic acid
CID 87929882
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-(2-methoxyhexadecyl)icosanoic acid
CID 70192088
2-butyl-4-methylundecanoic acid
CID 170848284
2-(2,2-dihydroxyethyl)icosanoic acid
CID 20685247
pentakis((2S,3R)-butane-1,2,3,4-tetrol);2-heptylundecanoic acid
CID 158862106
2-hexadecylicosanoic acid;propane-1,2,3-triol
CID 175484850
2-hexadecyl-8-methylicosanoic acid
CID 87355804
2-hexylpentacosanoic acid
CID 158257677
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid?
The IUPAC name of 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid (CID 87896935) is 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid.
What is the SMILES notation for 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid?
The canonical SMILES for 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid is CCCCCCCCCCCCC(CC(CO)OCC(C)O)C(=O)O.
What is the InChIKey of 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid?
The InChIKey is REDSVZVZTLSHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-18(20(23)24)14-19(15-21)25-16-17(2)22/h17-19,21-22H,3-16H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid?
2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid has a molecular weight of 360.54 g/mol, XLogP of 4.15, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-2-(2-hydroxypropoxy)propyl]tetradecanoic acid is sourced from PubChem (CID 87896935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).